CID 62918743

Cyclopropyl[3-(trifluoromethoxy)phenyl]methanone

Structural Information

Molecular Formula
C11H9F3O2
SMILES
C1CC1C(=O)C2=CC(=CC=C2)OC(F)(F)F
InChI
InChI=1S/C11H9F3O2/c12-11(13,14)16-9-3-1-2-8(6-9)10(15)7-4-5-7/h1-3,6-7H,4-5H2
InChIKey
MTMAQCLBWVKKEQ-UHFFFAOYSA-N
Compound name
cyclopropyl-[3-(trifluoromethoxy)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.05547 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06275 139.6
[M+Na]+ 253.04469 149.3
[M-H]- 229.04819 143.5
[M+NH4]+ 248.08929 152.7
[M+K]+ 269.01863 146.0
[M+H-H2O]+ 213.05273 130.6
[M+HCOO]- 275.05367 159.0
[M+CH3COO]- 289.06932 191.8
[M+Na-2H]- 251.03014 144.6
[M]+ 230.05492 139.3
[M]- 230.05602 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.